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This commit is contained in:
Aidan Thompson
2021-05-25 14:51:55 -06:00
parent a50c980595
commit c55997abca
2 changed files with 3 additions and 4 deletions
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2
doc/src/Build_development.rst
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@ -28,7 +28,7 @@ variable VERBOSE set to 1:
----------
.. _clang-tidy
.. _clang-tidy:
Enable static code analysis with clang-tidy
-------------------------------------------

3
doc/src/pair_hdnnp.rst
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@ -108,8 +108,7 @@ warning may look like this:
### NNP EXTRAPOLATION WARNING ### STRUCTURE: 0 ATOM: 119 ELEMENT: Cu SYMFUNC: 32 TYPE: 3 VALUE: 2.166E-02 MIN: 2.003E-05 MAX: 1.756E-02
stating that the value 2.166E-02 of symmetry function 32 of type 3 (angular
narrow), element Cu (see the log file for a symmetry function listing) was out
stating that the value 2.166E-02 of symmetry function 32 of type 3 (Narrow Angular symmetry function), element Cu (see the log file for a symmetry function listing) was out
of bounds (maximum in ``scaling.data`` is 1.756E-02) for atom 119. Here, the
atom index refers to the LAMMPS tag (global index) and the structure index is
used to print out the MPI rank the atom belongs to.